Geometry & MOs

Info

ID:

231512

PubChem CID:

87573978

Reduced:

O3F6C12H16 (1)

Stoich.:

A3B6C12D16 (1)

Weight, g/mol:

1027.206322

ΔHf, kcal/mol:

-430.22

Dipole, Da:

3.05

IP(EA), eV:

 -9.58(0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethyl-4-oxobutanoic acid;4-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-4-oxobutanoic acid;(4S)-5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C=C(CCOCC(F)(F)F)OC(=C)CCOCC(F)(F)F

DOS

IR

Vibrations